Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 2/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22491582 | 1.00 | DDB1 (0.43) | DDB1CRBNCYP1A2GRM4HTR1A | |
| SCHEMBL20030887 | 0.89 | KCNH2 (0.45) | DDB1CRBNHTR1AHTR6MAPK1 | |
| SCHEMBL8127288 | 0.83 | DDB1 (0.43) | DDB1CRBNCYP1A2GRM4HTR1A | |
| SCHEMBL10737866 | 0.83 | DDB1 (0.43) | DDB1CRBNCYP1A2GRM4SLC6A4 | |
| SCHEMBL29688897 | 0.83 | DDB1 (0.43) | DDB1CRBNCYP1A2GRM4HTR1A | |
| Hydrochloric Acid SCHEMBL10395915 | 0.82 | DDB1 (0.43) | DDB1CRBNCYP1A2GRM4HTR1A | |
| Hydrochloric Acid SCHEMBL10396669 | 0.82 | DDB1 (0.43) | DDB1CRBNCYP1A2GRM4SLC6A4 | |
| SCHEMBL13201149 | 0.80 | HTR2C (0.46) | DDB1CRBNCYP1A2GRM4MAPK1 | |
| SCHEMBL31426763 | 0.80 | DDB1 (0.52) | DDB1CRBNCYP1A2GRM4HTR6 | |
| SCHEMBL27139046 | 0.80 | DDB1 (0.52) | DDB1CRBNCYP1A2GRM4HTR6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3717477-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-07-20 | — | — | EP | disclosed |